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1,2-Naphthalenedicarboxylic acid, 3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID 8Zvm7zPrGAT
InChI InChI=1S/C19H31NO4/c1-18(2)9-8-10-19(3)13(18)11-12(20(4)5)14(16(21)23-6)15(19)17(22)24-7/h11-12,14-15H,8-10H2,1-7H3/t12-,14-,15-,19+/m0/s1
InChIKey MSFNEHVTDWNNEQ-VFSPDHHESA-N
Mol Weight 337.46 g/mol
Molecular Formula C19H31NO4
Exact Mass 337.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiEuGpTBkXc
Name 1,2-Naphthalenedicarboxylic acid, 3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,8a.alpha.)-(.+-.)-
CAS Registry Number 130487-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO4
InChI InChI=1S/C19H31NO4/c1-18(2)9-8-10-19(3)13(18)11-12(20(4)5)14(16(21)23-6)15(19)17(22)24-7/h11-12,14-15H,8-10H2,1-7H3/t12-,14-,15-,19+/m0/s1
InChIKey MSFNEHVTDWNNEQ-VFSPDHHESA-N
Molecular Weight 337.460 g/mol
SMILES [C@@]1([C@]([C@@]2(CCCC(C2=C[C@@]1(N(C)C)[H])(C)C)C)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0006-0900000000-d1d3463be131934e37e9
Source of Spectrum H-73-647-11
Synonyms (4aRS,5RS,6SR,7RS)-7-(dimethylamino)-1,2,3,4,4a,5,6,7-octahydro-1,1,4a-trimethylnaphthalene-5,6-dicarboxylate Dimethyl (1R,2R,3S,8aS)-3-(dimethylamino)-5,5,8a-trimethyl-1,2,3,5,6,7,8,8a-octahydro-1,2-naphthalenedicarboxylate
Wiley ID 1333138